SCHEMBL25987834

SCHEMBL25987834

O=C(N[C@@H]1CCCN(CCNc2ccc(CC(F)(F)F)cc2)C1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ TGM2 P21980 3/20 0.43
▸ F13A1 P00488 2/20 0.43
▸ TGM1 P22735 2/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ DPP4 P27487 5/20 0.42
▸ DPP7 Q9UHL4 5/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25987817 0.88 ACHE (0.49) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL29255622 0.77 CTSL (0.60) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL30456839 0.76 CTSL (0.52) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL27922050 0.76 CTSL (0.61) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL27922046 0.76 CTSL (0.61) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL18342447 0.75 CTSL (0.60) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL18342444 0.75 CTSL (0.60) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL28805924 0.75 OPRM1 (0.58) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL28805923 0.75 OPRM1 (0.58) CTSLCTSBCTSKEPHX1ALDH1A1
SCHEMBL25367967 0.74 CTSL (0.49) CTSLCTSBCTSKEPHX1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 CTSL 37/4885CTSB 117/4885CTSK 164/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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